#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wuz n ASN 2 N 0.00 2.34 -0.02 1.61 4.13 -1.26 -4.82 115.26 117.24 1wuz n ASN 2 Ca 0.00 -3.07 -0.02 0.00 1.68 0.00 0.00 54.58 53.17 1wuz n ASN 2 Cb 0.00 -0.69 -0.03 0.00 -1.54 0.00 0.00 39.78 37.52 1wuz n ASN 2 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1wuz n SER 3 N 1.84 4.03 -4.40 6.41 7.64 -1.26 -4.90 113.62 122.97 1wuz n SER 3 Ca 0.24 -0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.68 1wuz n SER 3 Cb 0.40 0.58 -0.06 0.00 -1.01 0.00 0.00 64.21 64.12 1wuz n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wuz s GLN 4 N -2.09 3.06 0.00 1.43 -2.07 -1.26 -1.37 119.66 117.35 1wuz s GLN 4 Ca -0.02 -1.19 0.03 0.00 -1.82 0.00 0.00 55.36 52.36 1wuz s GLN 4 Cb 0.01 -4.18 -0.01 0.00 -1.09 0.00 0.00 33.01 27.75 1wuz s GLN 4 CO 0.16 -1.29 -0.10 0.42 -1.32 0.00 0.00 175.29 173.16 1wuz s ILE 5 N 2.36 0.78 0.03 3.63 -1.09 -0.66 -5.05 121.20 121.20 1wuz s ILE 5 Ca 0.11 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 1wuz s ILE 5 Cb -0.23 -0.67 -0.02 0.00 -1.58 0.00 0.00 42.46 39.96 1wuz s ILE 5 CO 0.08 0.16 -0.04 -1.38 -1.23 0.00 0.00 174.94 172.54 1wuz s HIS 6 N -0.35 0.35 0.33 3.97 -3.43 -1.26 -1.42 115.29 113.48 1wuz s HIS 6 Ca 0.03 -0.60 0.08 0.00 -0.80 0.00 0.00 55.06 53.77 1wuz s HIS 6 Cb -0.04 -0.25 -0.06 0.00 -1.43 0.00 0.00 32.58 30.80 1wuz s HIS 6 CO -0.00 -0.20 -0.06 0.71 -2.00 0.00 0.00 174.74 173.19 1wuz s TYR 7 N -1.78 2.24 -0.34 0.38 2.02 -0.51 -4.93 117.35 114.43 1wuz s TYR 7 Ca -0.12 -0.61 0.03 0.00 -0.37 0.00 0.00 57.07 56.00 1wuz s TYR 7 Cb -0.08 -1.33 0.10 0.00 -0.40 0.00 0.00 41.96 40.25 1wuz s TYR 7 CO -0.02 0.44 0.05 -1.12 -1.57 0.00 0.00 175.55 173.33 1wuz s SER 8 N -3.56 4.80 -0.23 2.29 0.01 -0.87 -2.75 113.70 113.38 1wuz s SER 8 Ca 0.32 -2.03 -0.03 0.00 1.31 0.00 0.00 55.95 55.52 1wuz s SER 8 Cb 0.04 -1.65 0.01 0.00 0.21 0.00 0.00 66.02 64.63 1wuz s SER 8 CO 0.15 -0.38 -0.05 -0.51 0.41 0.00 0.00 173.24 172.87 1wuz s ILE 9 N 0.96 3.17 0.24 1.44 2.07 -0.98 -4.65 121.20 123.44 1wuz s ILE 9 Ca 0.08 -0.73 -0.30 0.00 -1.41 0.00 0.00 60.65 58.29 1wuz s ILE 9 Cb -0.20 -2.51 -0.09 0.00 0.13 0.00 0.00 42.46 39.79 1wuz s ILE 9 CO -0.07 0.32 1.28 -2.16 -1.91 0.00 0.00 174.94 172.40 1wuz s PRO 10 N 1.41 4.42 0.92 3.50 0.04 -1.26 -1.66 135.00 142.37 1wuz s PRO 10 Ca 0.04 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.98 1wuz s PRO 10 Cb -0.15 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1wuz s PRO 10 CO -0.04 -0.18 0.04 0.39 0.04 0.00 0.00 177.00 177.26 1wuz n GLU 11 N 2.06 -0.12 -1.46 4.56 1.02 -0.88 -2.22 120.64 123.61 1wuz n GLU 11 Ca 0.04 -0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.02 1wuz n GLU 11 Cb 0.43 -1.57 -0.07 0.00 -0.02 0.00 0.00 31.44 30.21 1wuz n GLU 11 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1wuz n GLU 12 N -0.23 -1.14 -1.71 3.49 2.13 -0.90 -4.87 120.64 117.42 1wuz n GLU 12 Ca 0.05 1.05 -0.43 0.00 0.66 0.00 0.00 57.16 58.48 1wuz n GLU 12 Cb 0.54 -5.23 -0.03 0.00 0.27 0.00 0.00 31.44 26.98 1wuz n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wuz s ALA 13 N -2.56 2.77 0.92 4.31 0.00 -0.94 -4.75 121.76 121.51 1wuz s ALA 13 Ca 0.00 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.49 1wuz s ALA 13 Cb 0.00 -4.06 0.14 0.00 0.00 0.00 0.00 23.12 19.21 1wuz s ALA 13 CO 0.00 -2.75 1.09 0.15 0.00 0.00 0.00 175.76 174.26 1wuz s LYS 14 N 6.16 1.04 -0.06 0.00 3.01 -1.26 -4.45 119.74 124.18 1wuz s LYS 14 Ca 0.95 1.06 -0.30 0.00 -1.01 0.00 0.00 55.97 56.67 1wuz s LYS 14 Cb -0.30 -1.77 -0.08 0.00 -1.01 0.00 0.00 37.83 34.67 1wuz s LYS 14 CO 0.35 -2.46 2.05 0.72 0.51 0.00 0.00 175.35 176.53 1wuz n HIS 15 N -4.06 2.31 0.00 3.18 8.25 -1.26 -1.49 115.22 122.15 1wuz n HIS 15 Ca 0.08 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1wuz n HIS 15 Cb 0.54 -2.77 0.00 0.00 1.12 0.00 0.00 29.99 28.88 1wuz n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wuz n GLY 16 N 4.97 1.05 3.77 -1.41 0.00 -0.93 -4.93 105.19 107.71 1wuz n GLY 16 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 1wuz n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wuz s THR 17 N -2.00 3.54 0.05 2.61 2.01 -0.55 -4.65 115.64 116.64 1wuz s THR 17 Ca 0.00 1.31 -0.31 0.00 0.31 0.00 0.00 61.69 63.01 1wuz s THR 17 Cb 0.00 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 1wuz s THR 17 CO 0.00 0.14 1.28 0.12 -0.69 0.00 0.00 174.62 175.47 1wuz s PHE 18 N -1.45 3.26 -0.09 4.92 5.36 -1.26 -2.22 117.98 126.50 1wuz s PHE 18 Ca 0.53 1.12 -0.08 0.00 -0.96 0.00 0.00 56.93 57.54 1wuz s PHE 18 Cb -0.27 -3.53 -0.04 0.00 -0.34 0.00 0.00 43.02 38.84 1wuz s PHE 18 CO 0.34 -1.77 -0.17 0.28 -1.46 0.00 0.00 175.22 172.44 1wuz n VAL 19 N 4.14 1.03 0.00 3.12 0.31 -1.03 -4.74 118.33 121.16 1wuz n VAL 19 Ca 0.11 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1wuz n VAL 19 Cb 0.45 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1wuz n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wuz n GLY 20 N 2.32 1.45 3.50 2.92 0.00 -1.26 -2.05 105.19 112.07 1wuz n GLY 20 Ca -0.17 0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1wuz n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuz n ARG 21 N 0.00 0.53 -0.15 1.61 1.74 -1.26 -4.12 116.66 115.00 1wuz n ARG 21 Ca 0.00 0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 57.02 1wuz n ARG 21 Cb 0.00 -2.32 -0.01 0.00 -1.02 0.00 0.00 32.46 29.11 1wuz n ARG 21 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1wuz h ILE 22 N 7.71 1.27 0.03 0.55 2.10 -1.91 -1.79 117.51 125.47 1wuz h ILE 22 Ca -0.15 -1.12 -0.00 0.00 1.08 0.00 0.00 64.86 64.67 1wuz h ILE 22 Cb 1.30 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 38.14 1wuz h ILE 22 CO 1.24 0.38 -0.02 0.00 -1.08 0.00 0.00 178.15 178.67 1wuz h ALA 23 N 0.89 -0.04 -0.96 0.18 0.00 -1.87 -0.63 119.26 116.82 1wuz h ALA 23 Ca 0.12 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1wuz h ALA 23 Cb 0.56 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 1wuz h ALA 23 CO 0.03 -0.28 0.59 0.37 0.00 0.00 0.00 179.25 179.97 1wuz h GLN 24 N -0.54 0.92 -0.00 0.00 5.75 -1.80 0.23 115.11 119.67 1wuz h GLN 24 Ca -0.00 -0.06 -0.16 0.00 -0.15 0.00 0.00 58.65 58.28 1wuz h GLN 24 Cb 0.50 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 1wuz h GLN 24 CO 0.01 0.61 -0.76 -0.44 -2.65 0.00 0.00 178.83 175.59 1wuz h ASP 25 N 0.95 0.00 -0.15 -0.69 3.32 -1.32 -3.22 116.42 115.31 1wuz h ASP 25 Ca 0.48 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.32 1wuz h ASP 25 Cb 0.47 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1wuz h ASP 25 CO -0.27 0.77 -0.69 -0.07 -1.72 0.00 0.00 179.24 177.26 1wuz h LEU 26 N 0.00 0.90 -0.59 1.55 4.07 0.58 -3.49 115.31 118.33 1wuz h LEU 26 Ca -0.01 -0.55 0.00 0.00 0.08 0.00 0.00 57.88 57.41 1wuz h LEU 26 Cb 1.35 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1wuz h LEU 26 CO 0.10 1.34 0.00 0.61 -1.08 0.00 0.00 178.44 179.41 1wuz n GLY 27 N 0.55 0.78 3.23 0.83 0.00 0.63 -4.74 105.19 106.48 1wuz n GLY 27 Ca -0.06 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 1wuz n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wuz s LEU 28 N -0.59 2.43 0.49 0.99 1.43 -1.21 -5.09 118.68 117.13 1wuz s LEU 28 Ca 0.00 -0.85 -0.22 0.00 -1.03 0.00 0.00 54.13 52.02 1wuz s LEU 28 Cb 0.00 -0.47 -0.06 0.00 0.03 0.00 0.00 46.19 45.69 1wuz s LEU 28 CO 0.00 -0.20 1.22 -0.70 0.23 0.00 0.00 176.35 176.90 1wuz s GLU 29 N -2.91 3.55 0.15 1.70 2.12 -1.26 -4.74 118.70 117.31 1wuz s GLU 29 Ca 0.10 1.91 -0.12 0.00 0.36 0.00 0.00 54.97 57.22 1wuz s GLU 29 Cb -0.03 -2.34 0.02 0.00 0.26 0.00 0.00 34.13 32.04 1wuz s GLU 29 CO 0.02 -0.76 1.59 1.25 -0.54 0.00 0.00 175.26 176.82 1wuz h LEU 30 N 1.83 0.89 -0.42 2.70 7.12 -1.98 -2.42 115.31 123.04 1wuz h LEU 30 Ca -0.50 -0.32 0.00 0.00 0.13 0.00 0.00 57.88 57.19 1wuz h LEU 30 Cb 1.26 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.15 1wuz h LEU 30 CO 0.59 1.00 0.00 0.35 -0.13 0.00 0.00 178.44 180.25 1wuz n THR 31 N -4.29 0.06 0.57 1.05 -2.24 -1.26 -3.23 114.28 104.93 1wuz n THR 31 Ca 0.01 -0.12 0.11 0.00 -2.27 0.00 0.00 64.05 61.77 1wuz n THR 31 Cb 0.34 -0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 1wuz n THR 31 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wuz n GLU 32 N -0.41 0.28 -0.14 -0.78 1.02 -0.92 -4.20 120.64 115.50 1wuz n GLU 32 Ca 0.17 -0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.19 1wuz n GLU 32 Cb 0.18 -1.57 0.03 0.00 -0.02 0.00 0.00 31.44 30.06 1wuz n GLU 32 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wuz h LEU 33 N 0.00 0.95 0.20 -4.62 3.38 -1.52 -2.02 115.31 111.68 1wuz h LEU 33 Ca 0.00 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1wuz h LEU 33 Cb 0.72 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1wuz h LEU 33 CO 0.00 1.12 -0.46 0.58 0.09 0.00 0.00 178.44 179.76 1wuz h VAL 34 N 0.81 0.09 0.00 1.22 2.07 -1.78 -1.36 116.25 117.30 1wuz h VAL 34 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1wuz h VAL 34 Cb 0.76 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1wuz h VAL 34 CO 0.06 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.20 1wuz h PRO 35 N -0.75 0.00 -0.15 1.57 0.13 -1.79 -2.31 132.00 128.70 1wuz h PRO 35 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wuz h PRO 35 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1wuz h PRO 35 CO -0.21 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.10 1wuz n ARG 36 N -2.44 1.69 -3.90 0.86 3.00 -0.58 -4.85 116.66 110.45 1wuz n ARG 36 Ca 0.02 -1.04 -0.32 0.00 -0.01 0.00 0.00 57.85 56.50 1wuz n ARG 36 Cb 0.24 -1.39 0.01 0.00 0.00 0.00 0.00 32.46 31.31 1wuz n ARG 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1wuz n LEU 37 N 0.26 -1.99 -4.73 0.55 7.99 -0.81 -1.42 117.00 116.84 1wuz n LEU 37 Ca 0.16 -1.09 -0.42 0.00 -0.01 0.00 0.00 56.01 54.66 1wuz n LEU 37 Cb 0.32 -2.13 -0.03 0.00 -0.11 0.00 0.00 43.42 41.48 1wuz n LEU 37 CO 0.13 0.52 1.14 0.12 -1.51 0.00 0.00 177.39 177.80 1wuz s PHE 38 N -3.72 3.05 -0.14 -1.77 5.36 -1.06 -2.70 117.98 117.00 1wuz s PHE 38 Ca 0.28 0.89 -0.12 0.00 -0.96 0.00 0.00 56.93 57.01 1wuz s PHE 38 Cb -0.12 -3.85 0.04 0.00 -0.34 0.00 0.00 43.02 38.75 1wuz s PHE 38 CO 0.90 -2.90 0.37 1.03 -1.46 0.00 0.00 175.22 173.16 1wuz s ARG 39 N 0.23 0.42 -0.09 10.12 0.52 -0.12 -5.01 118.95 125.03 1wuz s ARG 39 Ca 0.63 0.52 -0.04 0.00 -0.52 0.00 0.00 55.73 56.33 1wuz s ARG 39 Cb -0.42 0.19 -0.04 0.00 0.52 0.00 0.00 34.95 35.20 1wuz s ARG 39 CO 0.38 -0.06 0.07 0.08 0.02 0.00 0.00 175.30 175.80 1wuz s VAL 40 N 0.28 4.88 0.09 3.52 1.01 -1.26 -0.41 120.40 128.50 1wuz s VAL 40 Ca -0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 1wuz s VAL 40 Cb -0.03 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.25 1wuz s VAL 40 CO -0.00 0.57 0.25 0.00 0.00 0.00 0.00 175.10 175.92 1wuz s ALA 41 N -0.99 -0.46 0.05 5.51 0.00 -0.73 -4.86 121.76 120.27 1wuz s ALA 41 Ca 0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 1wuz s ALA 41 Cb -0.12 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 1wuz s ALA 41 CO 0.05 -0.52 -0.00 -1.54 0.00 0.00 0.00 175.76 173.75 1wuz s SER 42 N -2.69 0.38 -0.12 0.00 1.04 -1.26 -1.68 113.70 109.38 1wuz s SER 42 Ca 0.02 -0.83 0.15 0.00 0.48 0.00 0.00 55.95 55.77 1wuz s SER 42 Cb 0.03 0.19 0.65 0.00 0.10 0.00 0.00 66.02 66.99 1wuz s SER 42 CO -0.10 -0.54 1.53 0.29 0.98 0.00 0.00 173.24 175.40 1wuz n LYS 43 N 0.45 3.60 0.00 4.02 4.76 -1.26 -4.17 118.16 125.56 1wuz n LYS 43 Ca -0.16 -2.55 0.00 0.00 -2.87 0.00 0.00 58.31 52.73 1wuz n LYS 43 Cb 0.60 -1.89 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 1wuz n LYS 43 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1wuz n ASP 44 N 0.88 0.00 0.00 4.39 8.00 -1.26 -4.97 116.55 123.58 1wuz n ASP 44 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1wuz n ASP 44 Cb 0.85 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.94 1wuz n ASP 44 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wuz n ARG 45 N -1.43 1.36 -1.00 -1.24 1.74 -1.26 -5.00 116.66 109.83 1wuz n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1wuz n ARG 45 Cb 0.00 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 1wuz n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wuz n GLY 46 N 2.19 0.21 2.67 -0.13 0.00 -1.26 -4.82 105.19 104.05 1wuz n GLY 46 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1wuz n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wuz n ASP 47 N -0.57 2.27 -0.01 1.61 8.00 -1.26 -4.69 116.55 121.89 1wuz n ASP 47 Ca 0.00 -2.40 -0.21 0.00 0.71 0.00 0.00 54.79 52.89 1wuz n ASP 47 Cb 0.29 -0.45 -0.13 0.00 -0.02 0.00 0.00 41.12 40.80 1wuz n ASP 47 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1wuz h LEU 48 N 2.54 0.31 -8.00 0.64 4.07 -1.88 -3.39 115.31 109.60 1wuz h LEU 48 Ca -0.03 -0.82 0.01 0.00 0.08 0.00 0.00 57.88 57.11 1wuz h LEU 48 Cb 1.32 -0.10 -0.08 0.00 1.08 0.00 0.00 40.66 42.88 1wuz h LEU 48 CO 0.31 1.56 0.07 -0.76 -1.08 0.00 0.00 178.44 178.54 1wuz s LEU 49 N -7.63 0.00 -0.02 1.67 1.02 -1.26 -2.22 118.68 110.24 1wuz s LEU 49 Ca -0.21 -0.68 -0.20 0.00 0.02 0.00 0.00 54.13 53.06 1wuz s LEU 49 Cb 0.04 2.28 0.04 0.00 0.02 0.00 0.00 46.19 48.56 1wuz s LEU 49 CO 0.74 -1.21 0.43 -1.61 0.02 0.00 0.00 176.35 174.72 1wuz s GLU 50 N -3.94 0.81 -0.03 1.70 2.02 -1.09 -4.90 118.70 113.27 1wuz s GLU 50 Ca 0.14 -0.07 -0.10 0.00 0.02 0.00 0.00 54.97 54.96 1wuz s GLU 50 Cb -0.03 0.37 -0.05 0.00 0.10 0.00 0.00 34.13 34.52 1wuz s GLU 50 CO 0.05 -0.24 0.29 0.54 0.02 0.00 0.00 175.26 175.92 1wuz s VAL 51 N -1.39 5.26 -0.31 2.63 0.11 -1.26 -1.97 120.40 123.46 1wuz s VAL 51 Ca -0.12 0.42 -0.10 0.00 -2.93 0.00 0.00 61.98 59.26 1wuz s VAL 51 Cb -0.03 -3.57 -0.01 0.00 -1.53 0.00 0.00 36.38 31.24 1wuz s VAL 51 CO 0.05 0.51 0.15 0.21 -3.33 0.00 0.00 175.10 172.69 1wuz s ASN 52 N -1.30 5.55 0.35 3.54 2.47 -0.17 -4.95 114.94 120.44 1wuz s ASN 52 Ca 0.23 -0.53 0.25 0.00 0.42 0.00 0.00 52.86 53.23 1wuz s ASN 52 Cb -0.14 -2.00 1.28 0.00 -1.45 0.00 0.00 41.25 38.93 1wuz s ASN 52 CO 0.12 -0.19 1.76 -0.07 -3.72 0.00 0.00 177.10 174.99 1wuz h LEU 53 N 8.35 0.00 -0.69 3.21 3.38 -1.95 0.29 115.31 127.90 1wuz h LEU 53 Ca -0.32 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.78 1wuz h LEU 53 Cb 1.15 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 1wuz h LEU 53 CO 0.61 0.00 0.23 -0.61 0.09 0.00 0.00 178.44 178.76 1wuz h GLN 54 N 0.00 0.36 0.00 1.13 4.15 -1.94 -3.29 115.11 115.52 1wuz h GLN 54 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1wuz h GLN 54 Cb 0.10 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1wuz h GLN 54 CO 0.00 0.24 -0.34 -1.71 -1.93 0.00 0.00 178.83 175.08 1wuz n ASN 55 N -5.05 0.00 -2.89 -0.69 2.85 -1.06 -5.00 115.26 103.41 1wuz n ASN 55 Ca 0.12 -1.69 -0.21 0.00 -0.11 0.00 0.00 54.58 52.70 1wuz n ASN 55 Cb 0.37 -0.14 0.01 0.00 1.24 0.00 0.00 39.78 41.26 1wuz n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wuz n GLY 56 N 0.00 -0.51 3.82 8.20 0.00 0.10 -4.97 105.19 111.83 1wuz n GLY 56 Ca 0.00 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1wuz n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wuz s ILE 57 N -3.01 4.69 -0.22 -0.61 1.10 -1.11 -3.93 121.20 118.11 1wuz s ILE 57 Ca 0.22 -0.85 -0.15 0.00 -0.51 0.00 0.00 60.65 59.37 1wuz s ILE 57 Cb -0.11 -3.34 -0.04 0.00 0.15 0.00 0.00 42.46 39.13 1wuz s ILE 57 CO 0.27 0.01 0.37 -0.22 -2.11 0.00 0.00 174.94 173.26 1wuz s LEU 58 N -2.79 4.13 -0.05 8.50 1.98 -1.26 -1.00 118.68 128.19 1wuz s LEU 58 Ca 0.31 0.43 0.05 0.00 -2.89 0.00 0.00 54.13 52.03 1wuz s LEU 58 Cb -0.11 -2.45 -0.02 0.00 0.66 0.00 0.00 46.19 44.26 1wuz s LEU 58 CO 0.24 -0.08 -0.18 0.72 -1.89 0.00 0.00 176.35 175.15 1wuz s PHE 59 N 1.42 2.59 0.44 5.38 -0.12 -0.83 -2.45 117.98 124.41 1wuz s PHE 59 Ca 0.17 -0.33 -0.24 0.00 -0.05 0.00 0.00 56.93 56.48 1wuz s PHE 59 Cb -0.15 -1.61 -0.08 0.00 -0.63 0.00 0.00 43.02 40.55 1wuz s PHE 59 CO 0.08 0.05 1.21 0.08 -0.05 0.00 0.00 175.22 176.59 1wuz s VAL 60 N -0.54 2.93 -0.35 -2.49 1.01 -0.94 -2.68 120.40 117.33 1wuz s VAL 60 Ca 0.07 0.74 0.14 0.00 0.00 0.00 0.00 61.98 62.94 1wuz s VAL 60 Cb -0.11 -3.40 0.43 0.00 0.00 0.00 0.00 36.38 33.30 1wuz s VAL 60 CO 0.01 0.03 1.14 -3.20 0.00 0.00 0.00 175.10 173.08 1wuz n ASN 61 N -0.28 0.01 -2.01 3.32 2.85 -0.94 -2.18 115.26 116.03 1wuz n ASN 61 Ca 0.06 -2.58 -0.01 0.00 -0.11 0.00 0.00 54.58 51.95 1wuz n ASN 61 Cb 0.46 0.13 0.01 0.00 1.24 0.00 0.00 39.78 41.63 1wuz n ASN 61 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1wuz n SER 62 N -0.33 -0.71 -4.60 1.20 3.41 -1.16 -4.26 113.62 107.16 1wuz n SER 62 Ca 0.03 -1.35 -0.42 0.00 -0.26 0.00 0.00 58.87 56.87 1wuz n SER 62 Cb 0.83 1.15 -0.04 0.00 -0.26 0.00 0.00 64.21 65.90 1wuz n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wuz s ARG 63 N -2.02 3.85 -0.01 4.33 1.70 -1.26 -4.82 118.95 120.72 1wuz s ARG 63 Ca 0.10 0.56 0.12 0.00 -0.47 0.00 0.00 55.73 56.05 1wuz s ARG 63 Cb -0.01 -3.79 -0.17 0.00 -0.57 0.00 0.00 34.95 30.41 1wuz s ARG 63 CO 0.02 -0.90 0.33 -0.89 -1.08 0.00 0.00 175.30 172.78 1wuz n ILE 64 N 5.88 0.00 -1.53 4.99 2.08 -1.26 -4.23 119.36 125.29 1wuz n ILE 64 Ca 0.06 -0.26 -0.47 0.00 0.56 0.00 0.00 62.75 62.64 1wuz n ILE 64 Cb 0.48 0.43 -0.03 0.00 -0.75 0.00 0.00 39.64 39.77 1wuz n ILE 64 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1wuz n ASP 65 N -1.75 0.57 0.22 4.38 9.92 -1.26 -2.12 116.55 126.51 1wuz n ASP 65 Ca -0.01 1.16 0.18 0.00 -0.53 0.00 0.00 54.79 55.59 1wuz n ASP 65 Cb 0.28 -1.17 0.85 0.00 -0.64 0.00 0.00 41.12 40.44 1wuz n ASP 65 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1wuz h ARG 66 N 1.99 0.00 -0.11 -1.24 0.11 -1.93 0.39 114.38 113.59 1wuz h ARG 66 Ca -0.37 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.56 1wuz h ARG 66 Cb 1.37 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.46 1wuz h ARG 66 CO 0.61 0.00 -0.50 0.93 0.10 0.00 0.00 179.97 181.11 1wuz h GLU 67 N 0.00 0.54 0.00 0.08 5.08 -1.87 0.27 114.58 118.68 1wuz h GLU 67 Ca 0.08 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1wuz h GLU 67 Cb 0.53 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1wuz h GLU 67 CO -0.00 1.05 -0.18 0.93 -1.00 0.00 0.00 179.01 179.81 1wuz h GLU 68 N 0.14 0.00 0.00 2.33 3.07 -1.50 -3.41 114.58 115.21 1wuz h GLU 68 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1wuz h GLU 68 Cb 1.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1wuz h GLU 68 CO 0.10 0.31 0.00 1.28 -1.40 0.00 0.00 179.01 179.31 1wuz n LEU 69 N -4.69 0.00 0.08 1.33 4.77 0.12 -4.92 117.00 113.70 1wuz n LEU 69 Ca -0.06 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1wuz n LEU 69 Cb 0.21 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1wuz n LEU 69 CO 0.11 -0.24 0.00 0.00 -1.33 0.00 0.00 177.39 175.93 1wuz n GLY 71 N -1.47 1.45 0.33 0.00 0.00 0.93 -4.38 105.19 102.05 1wuz n GLY 71 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 1wuz n GLY 71 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wuz h ARG 72 N 0.00 -0.27 -5.77 1.61 2.47 -1.98 -3.39 114.38 107.05 1wuz h ARG 72 Ca 0.00 0.02 -0.60 0.00 -1.26 0.00 0.00 59.98 58.14 1wuz h ARG 72 Cb 0.00 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 1wuz h ARG 72 CO 0.00 -0.18 1.52 0.43 0.56 0.00 0.00 179.97 182.30 1wuz n SER 73 N -5.41 1.98 -0.19 7.04 7.64 -1.26 -4.77 113.62 118.65 1wuz n SER 73 Ca -0.00 0.17 0.29 0.00 1.01 0.00 0.00 58.87 60.33 1wuz n SER 73 Cb 0.33 -1.30 0.72 0.00 -1.01 0.00 0.00 64.21 62.94 1wuz n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wuz h ALA 74 N 14.06 2.84 -3.16 -0.43 0.00 -1.99 -3.36 119.26 127.22 1wuz h ALA 74 Ca -0.24 -0.03 -0.44 0.00 0.00 0.00 0.00 54.91 54.20 1wuz h ALA 74 Cb 1.30 0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.76 1wuz h ALA 74 CO 1.10 -1.10 -0.75 -2.00 0.00 0.00 0.00 179.25 176.50 1wuz s GLU 75 N -4.99 0.12 -0.18 0.00 2.12 -1.26 -4.94 118.70 109.57 1wuz s GLU 75 Ca -0.05 0.03 -0.03 0.00 0.36 0.00 0.00 54.97 55.28 1wuz s GLU 75 Cb 0.22 -1.42 -0.02 0.00 0.26 0.00 0.00 34.13 33.17 1wuz s GLU 75 CO 0.78 -0.54 -0.06 0.00 -0.54 0.00 0.00 175.26 174.89 1wuz s SER 77 N 0.90 4.82 -0.01 0.00 0.01 -1.26 -2.51 113.70 115.65 1wuz s SER 77 Ca -0.01 -0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.06 1wuz s SER 77 Cb -0.15 -1.09 -0.01 0.00 0.21 0.00 0.00 66.02 64.98 1wuz s SER 77 CO 0.01 0.19 -0.11 -0.63 0.41 0.00 0.00 173.24 173.10 1wuz s ILE 78 N -1.25 0.90 -0.02 1.44 1.09 -0.64 -5.02 121.20 117.71 1wuz s ILE 78 Ca 0.24 -0.49 0.05 0.00 -1.10 0.00 0.00 60.65 59.35 1wuz s ILE 78 Cb -0.11 -0.76 -0.03 0.00 -1.06 0.00 0.00 42.46 40.50 1wuz s ILE 78 CO 0.16 0.26 -0.15 -1.00 -0.10 0.00 0.00 174.94 174.10 1wuz s HIS 79 N -0.26 2.66 0.04 3.97 3.76 -1.26 -1.94 115.29 122.26 1wuz s HIS 79 Ca 0.04 -0.19 -0.07 0.00 -0.15 0.00 0.00 55.06 54.69 1wuz s HIS 79 Cb -0.04 -1.57 -0.01 0.00 1.11 0.00 0.00 32.58 32.07 1wuz s HIS 79 CO -0.00 0.21 0.13 -1.17 -0.85 0.00 0.00 174.74 173.06 1wuz s LEU 80 N -1.00 1.66 -0.18 0.89 0.20 0.92 -4.74 118.68 116.42 1wuz s LEU 80 Ca 0.13 -0.52 -0.01 0.00 0.69 0.00 0.00 54.13 54.43 1wuz s LEU 80 Cb -0.11 0.74 0.05 0.00 -0.43 0.00 0.00 46.19 46.44 1wuz s LEU 80 CO 0.03 -0.55 -0.04 -1.61 -0.29 0.00 0.00 176.35 173.88 1wuz s GLU 81 N -2.79 1.38 -0.47 1.98 8.01 -0.67 -1.90 118.70 124.23 1wuz s GLU 81 Ca -0.03 -0.60 -0.21 0.00 0.01 0.00 0.00 54.97 54.14 1wuz s GLU 81 Cb -0.00 -2.13 0.04 0.00 -4.31 0.00 0.00 34.13 27.73 1wuz s GLU 81 CO -0.05 -0.49 0.69 0.08 0.01 0.00 0.00 175.26 175.50 1wuz s VAL 82 N 1.61 4.76 -0.00 2.63 1.01 -0.99 -1.77 120.40 127.65 1wuz s VAL 82 Ca -0.01 -0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.70 1wuz s VAL 82 Cb -0.16 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1wuz s VAL 82 CO -0.07 -0.74 0.85 -0.51 0.00 0.00 0.00 175.10 174.62 1wuz s ILE 83 N 2.97 4.87 -0.01 2.22 -1.16 0.45 -1.33 121.20 129.21 1wuz s ILE 83 Ca 0.22 1.78 0.04 0.00 -0.51 0.00 0.00 60.65 62.18 1wuz s ILE 83 Cb -0.15 -4.19 -0.01 0.00 0.61 0.00 0.00 42.46 38.72 1wuz s ILE 83 CO 0.17 0.24 -0.13 0.68 -2.81 0.00 0.00 174.94 173.10 1wuz s VAL 84 N 0.66 1.03 -0.29 4.00 -7.23 -0.60 -0.94 120.40 117.03 1wuz s VAL 84 Ca 0.44 -0.55 -0.06 0.00 -1.81 0.00 0.00 61.98 60.00 1wuz s VAL 84 Cb -0.20 -0.86 0.01 0.00 0.56 0.00 0.00 36.38 35.88 1wuz s VAL 84 CO 0.24 0.29 0.07 -0.62 -0.31 0.00 0.00 175.10 174.77 1wuz s ASP 85 N -0.25 5.06 -0.23 4.85 2.15 -0.51 -2.47 116.67 125.27 1wuz s ASP 85 Ca 0.04 -0.67 -0.05 0.00 0.43 0.00 0.00 52.55 52.30 1wuz s ASP 85 Cb -0.06 -1.87 0.01 0.00 -0.30 0.00 0.00 42.92 40.70 1wuz s ASP 85 CO -0.00 -0.17 0.19 0.54 -0.17 0.00 0.00 175.17 175.56 1wuz n ARG 86 N 4.86 -1.77 -1.43 4.34 3.00 -1.26 -3.39 116.66 121.00 1wuz n ARG 86 Ca -0.15 1.68 -0.32 0.00 -0.01 0.00 0.00 57.85 59.06 1wuz n ARG 86 Cb 0.48 -3.87 0.08 0.00 0.00 0.00 0.00 32.46 29.15 1wuz n ARG 86 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1wuz s PRO 87 N -1.52 2.44 -0.44 5.56 0.04 -1.26 -4.25 135.00 135.57 1wuz s PRO 87 Ca 0.08 1.25 -0.20 0.00 0.04 0.00 0.00 61.00 62.17 1wuz s PRO 87 Cb -0.02 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1wuz s PRO 87 CO 0.47 -1.51 0.63 -0.51 0.04 0.00 0.00 177.00 176.12 1wuz s LEU 88 N -5.55 4.55 0.00 -3.56 1.02 -1.26 -4.67 118.68 109.22 1wuz s LEU 88 Ca 0.63 -0.40 -0.14 0.00 0.02 0.00 0.00 54.13 54.25 1wuz s LEU 88 Cb -0.18 -2.69 0.04 0.00 0.02 0.00 0.00 46.19 43.38 1wuz s LEU 88 CO 0.51 -0.77 0.62 0.00 0.02 0.00 0.00 176.35 176.72 1wuz n GLN 89 N 6.21 0.02 -4.27 1.70 1.13 -1.03 -5.04 117.38 116.09 1wuz n GLN 89 Ca -0.02 -0.25 -0.18 0.00 -1.94 0.00 0.00 57.00 54.61 1wuz n GLN 89 Cb 0.48 0.48 -0.11 0.00 0.11 0.00 0.00 30.24 31.20 1wuz n GLN 89 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1wuz s VAL 90 N -2.02 1.43 -0.17 5.09 1.01 -1.26 -1.56 120.40 122.92 1wuz s VAL 90 Ca 0.15 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 60.24 1wuz s VAL 90 Cb -0.00 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1wuz s VAL 90 CO -0.01 -0.50 -0.16 -0.36 0.00 0.00 0.00 175.10 174.07 1wuz s PHE 91 N -2.49 2.79 -0.17 5.22 0.08 -0.44 -4.92 117.98 118.04 1wuz s PHE 91 Ca 0.13 -1.24 -0.29 0.00 0.12 0.00 0.00 56.93 55.66 1wuz s PHE 91 Cb -0.03 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 1wuz s PHE 91 CO 0.04 -0.60 1.62 -1.58 -0.10 0.00 0.00 175.22 174.60 1wuz s HIS 92 N 1.04 2.10 -0.13 0.36 2.46 -0.47 -2.34 115.29 118.30 1wuz s HIS 92 Ca -0.01 0.48 0.02 0.00 0.47 0.00 0.00 55.06 56.02 1wuz s HIS 92 Cb -0.15 -3.93 0.01 0.00 -0.13 0.00 0.00 32.58 28.39 1wuz s HIS 92 CO -0.04 -3.14 -0.20 0.08 -2.47 0.00 0.00 174.74 168.97 1wuz s VAL 93 N 4.83 1.89 -0.16 0.89 1.01 -0.80 -1.66 120.40 126.40 1wuz s VAL 93 Ca 0.71 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 1wuz s VAL 93 Cb -0.27 -1.69 0.04 0.00 0.00 0.00 0.00 36.38 34.46 1wuz s VAL 93 CO 0.28 0.52 -0.05 -1.61 0.00 0.00 0.00 175.10 174.24 1wuz s GLU 94 N 0.92 1.38 -0.16 2.72 2.02 -0.51 -0.06 118.70 125.01 1wuz s GLU 94 Ca -0.06 -0.47 -0.03 0.00 0.02 0.00 0.00 54.97 54.43 1wuz s GLU 94 Cb -0.15 -1.95 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 1wuz s GLU 94 CO -0.03 -0.42 -0.06 0.14 0.02 0.00 0.00 175.26 174.90 1wuz s VAL 95 N 1.66 3.54 0.17 2.63 -7.23 -0.82 -1.43 120.40 118.91 1wuz s VAL 95 Ca 0.01 -0.48 0.06 0.00 -1.81 0.00 0.00 61.98 59.76 1wuz s VAL 95 Cb -0.15 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1wuz s VAL 95 CO -0.08 0.48 0.08 -1.61 -0.31 0.00 0.00 175.10 173.67 1wuz s GLU 96 N 0.62 2.71 0.31 4.82 2.02 -1.11 -1.63 118.70 126.43 1wuz s GLU 96 Ca -0.04 -0.96 -0.26 0.00 0.02 0.00 0.00 54.97 53.73 1wuz s GLU 96 Cb -0.15 -2.53 -0.10 0.00 0.10 0.00 0.00 34.13 31.45 1wuz s GLU 96 CO 0.03 0.48 0.94 0.14 0.02 0.00 0.00 175.26 176.86 1wuz s VAL 97 N -1.73 4.21 -0.28 2.63 -7.23 -1.04 -2.33 120.40 114.63 1wuz s VAL 97 Ca 0.30 1.83 0.03 0.00 -1.81 0.00 0.00 61.98 62.32 1wuz s VAL 97 Cb -0.10 -4.04 0.07 0.00 0.56 0.00 0.00 36.38 32.88 1wuz s VAL 97 CO 0.21 0.18 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.53 1wuz s ARG 98 N -1.97 1.84 0.00 4.82 3.00 -0.66 -4.83 118.95 121.15 1wuz s ARG 98 Ca 0.49 -1.38 0.00 0.00 -1.00 0.00 0.00 55.73 53.84 1wuz s ARG 98 Cb -0.19 -2.86 0.00 0.00 0.00 0.00 0.00 34.95 31.90 1wuz s ARG 98 CO 0.24 -0.68 0.00 -3.47 0.00 0.00 0.00 175.30 171.39 1wuz n ASP 99 N 4.46 0.00 -4.32 -2.12 -0.08 -1.26 -2.06 116.55 111.17 1wuz n ASP 99 Ca -0.09 -0.98 -0.20 0.00 -1.51 0.00 0.00 54.79 52.01 1wuz n ASP 99 Cb 0.42 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.78 1wuz n ASP 99 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1wuz s ILE 100 N -2.02 1.73 -0.14 5.18 -1.09 -1.26 -5.06 121.20 118.54 1wuz s ILE 100 Ca 0.00 -1.97 -0.15 0.00 -2.23 0.00 0.00 60.65 56.31 1wuz s ILE 100 Cb 0.00 -1.85 -0.12 0.00 -1.58 0.00 0.00 42.46 38.91 1wuz s ILE 100 CO 0.00 -0.40 0.22 -1.13 -1.23 0.00 0.00 174.94 172.40 1wuz h ASN 101 N 3.11 0.00 -0.30 3.58 -0.73 -1.92 -3.33 115.58 115.98 1wuz h ASN 101 Ca -0.41 -0.39 0.09 0.00 1.87 0.00 0.00 56.30 57.46 1wuz h ASN 101 Cb 1.21 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.79 1wuz h ASN 101 CO 0.54 0.92 0.26 -0.78 -0.37 0.00 0.00 177.43 178.00 1wuz h ASP 102 N -1.00 0.00 0.00 1.15 3.58 -1.99 -3.52 116.42 114.65 1wuz h ASP 102 Ca -0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1wuz h ASP 102 Cb 0.68 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1wuz h ASP 102 CO -0.05 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.11